Volume 1 Chapter 2 The Instruction Document
Each type of information which can be searched by QUEST and QUEST3D is called a search field. At present there are some 70 search fields but only a restricted number of these are commonly used. Some of the more commonly used search fields are listed below.
Each search field is identified by a keyword preceded by *
In the list below
Some search fields are not necessarily of value on their own but are used, in conjunction with other search fields, to restrict the number of hits. For example, you would not normally wish to find all entries having R-factor less than 0.075. However, if you propose to make a detailed geometrical study of steroids then you might restrict the hits to those entries having R < 0.075 ie. the most accurate determinations.
Note that the publication volume and page are text search fields. Although these fields normally have numeric values there are situations involving values such as 45A, L37 etc. For this reason these two fields must be treated as text fields.
*KEYWORD SEARCH FIELD
1. *NAME Compound name and synonym
2. *XNAME Compound name and synonym, ignoring non-alphabetic characters
3. *AUTHOR Author's name
4. *SURNAME Author's surname
5. *VOLUME Publication volume
6. *PAGE Publication page
7. *SPACEGROUP Space group symbol
8. *REFCODE Reference code
9. *ADATE Accession date ie. date when entry was added to the database
10. *CODEN Publication coden (each journal has a coden number)
11. *YEAR Publication year
12. *BCLASS Basic chemical class
13. *CLAS S Chemical class (any)
14. *MAXATOMICNO Maximum atomic number
15. *SPGNUMBER Space group number (according to International Tables for
Crystallography)
16. *ZVALUE Z value, ie. number of formula units per unit cell
17. *ZPRIME Z' value, ie. number of formula units per asymmetric unit
18. *INTFLAG Intensity measurement flag
19. *RFACTOR R-factor
20. *SIGFLAG Average esd for C-C bond lengths
21. *MATFLAG Connectivity matching flag
22. *COORDINATES Number of atoms for which entry contains atomic coordinates
23. *CONNSER Chemical connectivity
As noted earlier, only the first four alphabetic characters of the keyword need be specified.
